CAS RN: 6265-94-7
Benzothiazole, 2-(phenylmethyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6265-94-7
- Purity/Analytical Methods: >99.0%
6265-94-7 / 2-benzyl-1,3-benzothiazole
Basic Information
CAS
6265-94-7
Multi CAS
Yes
Molecular Formula
C14H11NS
Molecular Weight
225.310000
Exact Mass
225.061221
InChI
InChI=1S/C14H11NS/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKey
MBWYZECWEVLZGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.87
TPSA
12.89
LogP / Solubility
WLOGP
3.89
MLOGP
3.42
XLogP3
4.6
Consensus LogP
3.97
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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